9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid

C13H21NO5 — CID 10564033

IUPAC9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid
SMILESO=C(O)/C=C\C(=O)NCCCCCCCCC(=O)O
InChIInChI=1S/C13H21NO5/c15-11(8-9-13(18)19)14-10-6-4-2-1-3-5-7-12(16)17/h8-9H,1-7,10H2,(H,14,15)(H,16,17)(H,18,19)/b9-8-
InChIKeyPRSULWONXDVGFP-HJWRWDBZSA-N
MW271.31 g/mol
LogP1.56
Rot. Bonds11

About 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid

9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid (PubChem CID 10564033) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid.

Molecular Properties

Compound Name9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid
PubChem CID10564033
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid
SMILESO=C(O)/C=C\C(=O)NCCCCCCCCC(=O)O
InChIInChI=1S/C13H21NO5/c15-11(8-9-13(18)19)14-10-6-4-2-1-3-5-7-12(16)17/h8-9H,1-7,10H2,(H,14,15)(H,16,17)(H,18,19)/b9-8-
InChIKeyPRSULWONXDVGFP-HJWRWDBZSA-N
XLogP1.56
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 235171
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CID 5384149
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CID 20026787
7-(Prop-2-enoylamino)heptanoic acid
CID 24699045
N-[4-(-Carboxycyclohexylmethyl)]maleamidic Acid
CID 24786937
6-Methylacrylamidohexanoic acid
CID 54131804
Sodium 11-(acryloylamino)undecanoate
CID 57355818
4-Oxo-4-((2-((2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)amino)isocrotonic acid
CID 6433029
N-(5-Carboxypentyl)maleamic acid
CID 329056
Cyclohexanecarboxylic acid, 4-[[[(2Z)-3-carboxy-1-oxo-2-propen-1-yl]amino]methyl]-, trans-
CID 2055304
6-Maleamidocaproic acid; N-(5-Carboxy-n-pentyl)maleamic acid
CID 5912867
4-[(3-Carboxyprop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 6612336

Frequently Asked Questions

What is the IUPAC name of 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid?
The IUPAC name of 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid (CID 10564033) is 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid.
What is the SMILES notation for 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid?
The canonical SMILES for 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid is O=C(O)/C=C\C(=O)NCCCCCCCCC(=O)O.
What is the InChIKey of 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid?
The InChIKey is PRSULWONXDVGFP-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H21NO5/c15-11(8-9-13(18)19)14-10-6-4-2-1-3-5-7-12(16)17/h8-9H,1-7,10H2,(H,14,15)(H,16,17)(H,18,19)/b9-8-.
What are the key properties of 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid?
9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid has a molecular weight of 271.31 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid is sourced from PubChem (CID 10564033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).